Geometry & MOs

Info

ID:	280233
PubChem CID:	103847891
Reduced:	S2N3O3C10H15 (1)
Stoich.:	A2B3C3D10E15 (1)
Weight, g/mol:	230.01837
ΔH_f, kcal/mol:	-96.15
Dipole, Da:	8.07
IP(EA), eV:	-9.67(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-ynyl-2-methyl-1,3-thiazole-5-sulfonamide

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1S(=O)(=O)C2=CN=C(S2)C

DOS

IR

Vibrations